1-Chloromethyl-2,4-diisocyanatobenzene

• Catalog Number: ACM51979578
• Product Name: 1-Chloromethyl-2,4-diisocyanatobenzene
• CAS: 51979-57-8
• Category: Polymer/Macromolecule
• Synonyms: 1-CHLOROMETHYL-2,4-DIISOCYANATOBENZENE;1-CHLOROMETHYL-2,4-DIISOCYANATOBENZENE 97%;1-Chloromethyl-2,4-diisocyanatobenzene,98%;1-Chloromethyl-2,4-diisocyanatobenzene,97%;4-Chloromethyl-1,3-phenylene diisocyanate, 97%
• IUPAC Name: 1-(chloromethyl)-2,4-diisocyanatobenzene
• Molecular Weight: 208.6
• Molecular Formula: C₉H₅ClN₂O₂
• Canonical SMILES: C1=CC(=C(C=C1N=C=O)N=C=O)CCl
• InChI Key: LCJLEYPRGLFMGM-UHFFFAOYSA-N
• Boiling Point: 152-155ºC11 mm Hg(lit.)
• Flash Point: >230 °F
• Density: 1.362 g/mL at 25ºC(lit.)
• Exact Mass: 208.00400
• Hazard Statements: Xn
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: 7-26-27-37/39

Custom Q&A

What is the molecular formula of 1-Chloromethyl-2,4-diisocyanatobenzene?

The molecular formula of 1-Chloromethyl-2,4-diisocyanatobenzene is C9H5ClN2O2.

What is the molecular weight of 1-Chloromethyl-2,4-diisocyanatobenzene?

The molecular weight of 1-Chloromethyl-2,4-diisocyanatobenzene is 208.60 g/mol.

What is the IUPAC name of 1-Chloromethyl-2,4-diisocyanatobenzene?

The IUPAC name of 1-Chloromethyl-2,4-diisocyanatobenzene is 1-(chloromethyl)-2,4-diisocyanatobenzene.

What is the InChI of 1-Chloromethyl-2,4-diisocyanatobenzene?

The InChI of 1-Chloromethyl-2,4-diisocyanatobenzene is InChI=1S/C9H5ClN2O2/c10-4-7-1-2-8(11-5-13)3-9(7)12-6-14/h1-3H,4H2.

What is the InChIKey of 1-Chloromethyl-2,4-diisocyanatobenzene?

The InChIKey of 1-Chloromethyl-2,4-diisocyanatobenzene is LCJLEYPRGLFMGM-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Chloromethyl-2,4-diisocyanatobenzene?

The canonical SMILES of 1-Chloromethyl-2,4-diisocyanatobenzene is C1=CC(=C(C=C1N=C=O)N=C=O)CCl.

What is the CAS number of 1-Chloromethyl-2,4-diisocyanatobenzene?

The CAS number of 1-Chloromethyl-2,4-diisocyanatobenzene is 51979-57-8.

What is the European Community (EC) number of 1-Chloromethyl-2,4-diisocyanatobenzene?

The European Community (EC) number of 1-Chloromethyl-2,4-diisocyanatobenzene is 621-516-8.

What is the XLogP3-AA value of 1-Chloromethyl-2,4-diisocyanatobenzene?

The XLogP3-AA value of 1-Chloromethyl-2,4-diisocyanatobenzene is 3.9.

Is 1-Chloromethyl-2,4-diisocyanatobenzene a canonicalized compound?

Yes, 1-Chloromethyl-2,4-diisocyanatobenzene is a canonicalized compound.